1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide

C18H21N3O2 — CID 131944566

IUPAC1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)Nc2cccc(CN3CCCC3)c2)c1=O
InChIInChI=1S/C18H21N3O2/c1-20-9-5-8-16(18(20)23)17(22)19-15-7-4-6-14(12-15)13-21-10-2-3-11-21/h4-9,12H,2-3,10-11,13H2,1H3,(H,19,22)
InChIKeyMZQFMULJKYPQMS-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.23
Rot. Bonds4

About 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide

1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide (PubChem CID 131944566) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
PubChem CID131944566
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)Nc2cccc(CN3CCCC3)c2)c1=O
InChIInChI=1S/C18H21N3O2/c1-20-9-5-8-16(18(20)23)17(22)19-15-7-4-6-14(12-15)13-21-10-2-3-11-21/h4-9,12H,2-3,10-11,13H2,1H3,(H,19,22)
InChIKeyMZQFMULJKYPQMS-UHFFFAOYSA-N
XLogP2.23
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-dimethyl-4-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131916152
1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
CID 131902181
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide
CID 46417268
2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131909771
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]azepane-2-carboxamide
CID 131900931
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350
4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride
CID 119852975
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide (CID 131944566) is 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide is Cn1cccc(C(=O)Nc2cccc(CN3CCCC3)c2)c1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is MZQFMULJKYPQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20-9-5-8-16(18(20)23)17(22)19-15-7-4-6-14(12-15)13-21-10-2-3-11-21/h4-9,12H,2-3,10-11,13H2,1H3,(H,19,22).
What are the key properties of 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 131944566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).